[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate

C24H22FN3O6S — CID 24895350

IUPAC[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1)OC[C@@H]1CCCO1
InChIInChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)/t18-/m0/s1
InChIKeyDOCMMXGLCNAMKG-SFHVURJKSA-N
MW499.52 g/mol
LogP3.98
Rot. Bonds8

About [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate

[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate (PubChem CID 24895350) has the molecular formula C24H22FN3O6S and a molecular weight of 499.52 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
PubChem CID24895350
Molecular FormulaC24H22FN3O6S
Molecular Weight499.52 g/mol
Exact Mass499.12
IUPAC Name[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1)OC[C@@H]1CCCO1
InChIInChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)/t18-/m0/s1
InChIKeyDOCMMXGLCNAMKG-SFHVURJKSA-N
XLogP3.98
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 69308632
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate (CID 24895350) is [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The InChIKey is DOCMMXGLCNAMKG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)/t18-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
[(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate has a molecular weight of 499.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 24895350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).